Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | RECQL | P46063 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27483667 | 0.97 | RECQL (0.46) | CA2TSHRRECQLGLAHPGD | |
| SCHEMBL8924040 | 0.90 | RECQL (0.50) | CA2TSHRRECQLGLAHPGD | |
| SCHEMBL11644922 | 0.87 | RECQL (0.56) | CA2TSHRRECQLGLAHPGD | |
| SCHEMBL28188298 | 0.87 | RECQL (0.56) | CA2TSHRRECQLGLAHPGD | |
| SCHEMBL23631399 | 0.85 | CYP3A4 (0.43) | CA2TSHRRECQLCYP3A4L3MBTL1 | |
| Ethasulfuric Acid SCHEMBL57666 | 0.85 | CYP3A4 (0.50) | CA2TSHRRECQLGLAHPGD | |
| Ethasulfuric Acid SCHEMBL30312334 | 0.85 | CYP3A4 (0.50) | CA2TSHRRECQLGLAHPGD | |
| Potassium Ion SCHEMBL11153218 | 0.83 | RECQL (0.52) | CA2TSHRRECQLGLAHPGD | |
| Ethasulfuric Acid SCHEMBL27915134 | 0.83 | CYP3A4 (0.49) | CA2TSHRRECQLGLAHPGD | |
| SCHEMBL23631400 | 0.83 | RECQL (0.44) | CA2TSHRRECQLMAPK1CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834497-B1 | PROCESS FOR PRODUCING 3-ISOCHROMANONES | SAGAMI CHEM RES (JP) | 2001-10-24 | — | — | EP | disclosed |
| US-5886211-A | Process for producing 2-(halomethyl)phenylacetic acid esters | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1999-03-23 | — | — | US | disclosed |
| EP-0834497-A1 | PROCESS FOR PRODUCING 2-(HALOMETHYL)PHENYLACETIC ACID ESTERS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1998-04-08 | — | — | EP | disclosed |